(4-chloropiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone

C13H16ClNO2 — CID 63390640

IUPAC(4-chloropiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
SMILESCc1ccc(O)c(C(=O)N2CCC(Cl)CC2)c1
InChIInChI=1S/C13H16ClNO2/c1-9-2-3-12(16)11(8-9)13(17)15-6-4-10(14)5-7-15/h2-3,8,10,16H,4-7H2,1H3
InChIKeyYOQZHBPVJIMXLF-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.54
Rot. Bonds1

About (4-chloropiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone

(4-chloropiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone (PubChem CID 63390640) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is (4-chloropiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name(4-chloropiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
PubChem CID63390640
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name(4-chloropiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
SMILESCc1ccc(O)c(C(=O)N2CCC(Cl)CC2)c1
InChIInChI=1S/C13H16ClNO2/c1-9-2-3-12(16)11(8-9)13(17)15-6-4-10(14)5-7-15/h2-3,8,10,16H,4-7H2,1H3
InChIKeyYOQZHBPVJIMXLF-UHFFFAOYSA-N
XLogP2.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3-chloropyrrolidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 63398431
[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 133119917
(2-hydroxy-5-methylphenyl)-(4-methylazepan-1-yl)methanone
CID 62045285
(4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299535
(3,4-dimethylpyrrolidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 79039544
(2-hydroxy-5-methylphenyl)-(4-propylazepan-1-yl)methanone
CID 62079849
(2-hydroxy-5-methylphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498328
1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470896
(3-ethylpiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 43430151
4-fluoro-N-[1-(2-hydroxy-5-methylbenzoyl)piperidin-4-yl]benzamide
CID 32507439
(5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 18108514
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 27799663

Frequently Asked Questions

What is the IUPAC name of (4-chloropiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone?
The IUPAC name of (4-chloropiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone (CID 63390640) is (4-chloropiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone.
What is the SMILES notation for (4-chloropiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone?
The canonical SMILES for (4-chloropiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone is Cc1ccc(O)c(C(=O)N2CCC(Cl)CC2)c1.
What is the InChIKey of (4-chloropiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone?
The InChIKey is YOQZHBPVJIMXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-9-2-3-12(16)11(8-9)13(17)15-6-4-10(14)5-7-15/h2-3,8,10,16H,4-7H2,1H3.
What are the key properties of (4-chloropiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone?
(4-chloropiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone has a molecular weight of 253.73 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloropiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone is sourced from PubChem (CID 63390640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).